#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucp n GLY 2 N 0.00 -1.45 0.27 -5.12 0.00 -1.26 -4.99 105.19 92.64 1ucp n GLY 2 Ca 0.00 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.12 1ucp n GLY 2 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ucp h ARG 3 N 0.00 0.00 -0.29 1.61 3.08 -1.85 -2.36 114.38 114.56 1ucp h ARG 3 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1ucp h ARG 3 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1ucp h ARG 3 CO 0.00 0.00 -0.48 0.00 -1.07 0.00 0.00 179.97 178.42 1ucp h ALA 4 N 1.21 -0.63 -0.15 0.04 0.00 -1.85 0.27 119.26 118.16 1ucp h ALA 4 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ucp h ALA 4 Cb 0.71 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1ucp h ALA 4 CO 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 179.25 178.33 1ucp h ARG 5 N -0.43 0.23 -0.29 0.00 3.08 -1.71 -1.77 114.38 113.48 1ucp h ARG 5 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ucp h ARG 5 Cb 0.62 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1ucp h ARG 5 CO -0.52 0.37 0.19 -0.44 -1.07 0.00 0.00 179.97 178.50 1ucp h ASP 6 N 0.05 0.34 -0.57 7.04 5.19 -1.60 -0.01 116.42 126.87 1ucp h ASP 6 Ca 0.05 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 1ucp h ASP 6 Cb 0.24 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1ucp h ASP 6 CO -0.00 0.25 0.11 0.00 -3.12 0.00 0.00 179.24 176.48 1ucp h ALA 7 N 1.10 1.05 0.38 3.45 0.00 -0.40 0.29 119.26 125.12 1ucp h ALA 7 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ucp h ALA 7 Cb -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ucp h ALA 7 CO -0.02 0.61 -0.18 0.82 0.00 0.00 0.00 179.25 180.48 1ucp h ILE 8 N 0.92 0.64 -0.31 0.00 2.04 -0.74 -0.77 117.51 119.29 1ucp h ILE 8 Ca 0.19 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1ucp h ILE 8 Cb 0.39 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1ucp h ILE 8 CO 0.01 0.02 0.16 0.25 0.00 0.00 0.00 178.15 178.59 1ucp h LEU 9 N -0.56 0.25 -0.66 1.44 6.46 -0.55 0.79 115.31 122.48 1ucp h LEU 9 Ca -0.05 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1ucp h LEU 9 Cb 0.42 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.25 1ucp h LEU 9 CO 0.08 0.19 0.35 0.44 -0.62 0.00 0.00 178.44 178.88 1ucp h ASP 10 N 0.34 0.49 0.21 1.25 3.32 -0.43 0.41 116.42 122.00 1ucp h ASP 10 Ca 0.12 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1ucp h ASP 10 Cb 0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1ucp h ASP 10 CO -0.08 0.31 -0.10 0.00 -1.72 0.00 0.00 179.24 177.65 1ucp h ALA 11 N 1.37 -0.28 -0.77 3.45 0.00 -0.04 -0.59 119.26 122.40 1ucp h ALA 11 Ca 0.30 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1ucp h ALA 11 Cb 0.24 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1ucp h ALA 11 CO -0.21 -0.50 0.40 -0.07 0.00 0.00 0.00 179.25 178.87 1ucp h LEU 12 N -0.59 0.54 -0.63 0.00 -0.00 -0.55 -1.06 115.31 113.01 1ucp h LEU 12 Ca -0.03 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1ucp h LEU 12 Cb 0.43 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 1ucp h LEU 12 CO 0.05 0.29 0.33 -0.33 -0.00 0.00 0.00 178.44 178.78 1ucp h GLU 13 N 0.66 0.89 0.00 1.13 4.39 -0.89 -2.38 114.58 118.38 1ucp h GLU 13 Ca 0.38 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1ucp h GLU 13 Cb 0.41 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1ucp h GLU 13 CO -0.28 0.69 0.00 -0.91 -1.16 0.00 0.00 179.01 177.35 1ucp h ASN 14 N 0.86 0.00 -3.98 1.42 4.21 0.10 -3.45 115.58 114.74 1ucp h ASN 14 Ca 0.22 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 57.24 1ucp h ASN 14 Cb 0.07 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.30 1ucp h ASN 14 CO -0.03 0.00 0.27 -0.76 -1.29 0.00 0.00 177.43 175.61 1ucp s LEU 15 N -5.69 3.57 0.48 1.61 1.43 -0.56 -5.07 118.68 114.45 1ucp s LEU 15 Ca -0.00 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1ucp s LEU 15 Cb 0.10 -4.24 0.01 0.00 0.03 0.00 0.00 46.19 42.09 1ucp s LEU 15 CO 0.44 -0.61 0.70 0.42 0.23 0.00 0.00 176.35 177.53 1ucp s THR 16 N -2.73 3.53 0.41 5.49 -4.23 -1.26 -4.87 115.64 111.97 1ucp s THR 16 Ca 0.53 -0.57 0.11 0.00 -1.18 0.00 0.00 61.69 60.59 1ucp s THR 16 Cb -0.10 -3.31 0.32 0.00 1.34 0.00 0.00 72.50 70.75 1ucp s THR 16 CO 0.40 -0.21 1.96 0.00 -0.54 0.00 0.00 174.62 176.23 1ucp h ALA 17 N 0.30 1.92 -0.17 3.99 0.00 -1.97 0.20 119.26 123.52 1ucp h ALA 17 Ca -0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1ucp h ALA 17 Cb 1.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ucp h ALA 17 CO 0.55 -0.06 -0.17 1.49 0.00 0.00 0.00 179.25 181.06 1ucp h GLU 18 N 0.52 0.42 -0.41 0.00 4.22 -1.99 0.20 114.58 117.55 1ucp h GLU 18 Ca 0.30 -0.22 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 1ucp h GLU 18 Cb 0.49 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1ucp h GLU 18 CO -0.10 0.79 0.03 0.93 -2.18 0.00 0.00 179.01 178.48 1ucp h GLU 19 N 0.07 0.71 -0.78 1.92 5.08 -1.78 -2.06 114.58 117.74 1ucp h GLU 19 Ca 0.03 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1ucp h GLU 19 Cb 0.71 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1ucp h GLU 19 CO 0.04 0.78 0.51 -0.07 -1.00 0.00 0.00 179.01 179.27 1ucp h LEU 20 N 0.55 0.86 0.15 1.33 3.38 -0.56 0.23 115.31 121.24 1ucp h LEU 20 Ca 0.12 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1ucp h LEU 20 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ucp h LEU 20 CO 0.02 0.61 -0.29 0.50 0.09 0.00 0.00 178.44 179.36 1ucp h LYS 21 N 1.01 -0.50 -0.65 1.13 1.63 -0.79 0.11 116.57 118.51 1ucp h LYS 21 Ca 0.30 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1ucp h LYS 21 Cb -0.05 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1ucp h LYS 21 CO -0.09 -0.33 0.42 0.87 -3.45 0.00 0.00 179.45 176.87 1ucp h LYS 22 N -0.52 0.86 0.28 1.90 1.57 -0.65 -1.26 116.57 118.75 1ucp h LYS 22 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ucp h LYS 22 Cb 0.54 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1ucp h LYS 22 CO -0.15 0.58 -0.25 0.35 -0.57 0.00 0.00 179.45 179.41 1ucp h PHE 23 N 0.88 -0.65 -0.28 -1.35 3.57 -0.25 0.29 116.94 119.15 1ucp h PHE 23 Ca 0.24 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1ucp h PHE 23 Cb -0.09 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1ucp h PHE 23 CO -0.03 -0.37 0.19 0.87 -2.23 0.00 0.00 178.31 176.74 1ucp h LYS 24 N -0.55 0.26 0.14 1.11 1.57 -0.79 -0.74 116.57 117.56 1ucp h LYS 24 Ca -0.01 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.46 1ucp h LYS 24 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ucp h LYS 24 CO -0.03 0.17 -1.36 -0.07 -0.57 0.00 0.00 179.45 177.59 1ucp h LEU 25 N 0.26 0.45 -1.04 2.94 3.38 -0.82 -3.33 115.31 117.16 1ucp h LEU 25 Ca 0.11 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1ucp h LEU 25 Cb 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1ucp h LEU 25 CO -0.02 1.42 0.61 0.11 0.09 0.00 0.00 178.44 180.65 1ucp h LYS 26 N 0.08 1.26 0.00 1.13 1.79 0.66 -0.66 116.57 120.83 1ucp h LYS 26 Ca -0.18 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1ucp h LYS 26 Cb 2.00 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 1ucp h LYS 26 CO 0.20 0.85 0.25 -0.07 -1.08 0.00 0.00 179.45 179.59 1ucp h LEU 27 N 1.29 0.00 -5.21 2.94 3.38 -1.28 -0.68 115.31 115.75 1ucp h LEU 27 Ca 0.35 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.03 1ucp h LEU 27 Cb -0.12 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.22 1ucp h LEU 27 CO -0.07 0.00 -1.09 -0.11 0.09 0.00 0.00 178.44 177.26 1ucp n LEU 28 N -2.67 1.94 0.00 1.67 0.00 -0.35 -4.79 117.00 112.80 1ucp n LEU 28 Ca -0.02 -3.27 0.00 0.00 0.00 0.00 0.00 56.01 52.72 1ucp n LEU 28 Cb 0.29 0.38 0.00 0.00 0.00 0.00 0.00 43.42 44.09 1ucp n LEU 28 CO 0.12 1.19 0.00 -0.24 0.00 0.00 0.00 177.39 178.47 1ucp n SER 29 N -0.57 0.00 -4.66 1.96 2.88 -0.32 -4.95 113.62 107.96 1ucp n SER 29 Ca 0.11 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.23 1ucp n SER 29 Cb 0.82 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.25 1ucp n SER 29 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ucp s VAL 30 N -0.94 4.09 0.64 2.46 0.11 -0.86 -4.97 120.40 120.93 1ucp s VAL 30 Ca 0.00 1.31 -0.17 0.00 -2.93 0.00 0.00 61.98 60.20 1ucp s VAL 30 Cb 0.00 -3.88 -0.01 0.00 -1.53 0.00 0.00 36.38 30.96 1ucp s VAL 30 CO 0.00 -0.15 1.17 -2.16 -3.33 0.00 0.00 175.10 170.63 1ucp s PRO 31 N 3.72 2.74 0.45 1.54 0.04 -1.26 -4.74 135.00 137.49 1ucp s PRO 31 Ca 0.60 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.30 1ucp s PRO 31 Cb -0.24 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ucp s PRO 31 CO 0.19 -1.35 0.67 -1.17 0.04 0.00 0.00 177.00 175.38 1ucp s LEU 32 N -4.56 3.64 1.03 -3.56 0.20 -1.26 -5.09 118.68 109.07 1ucp s LEU 32 Ca 0.73 0.24 -0.15 0.00 0.69 0.00 0.00 54.13 55.63 1ucp s LEU 32 Cb -0.26 -3.12 0.21 0.00 -0.43 0.00 0.00 46.19 42.59 1ucp s LEU 32 CO 0.38 -0.72 1.16 -0.13 -0.29 0.00 0.00 176.35 176.75 1ucp s ARG 33 N -4.55 0.13 0.62 1.98 0.52 -1.26 -5.06 118.95 111.33 1ucp s ARG 33 Ca 0.49 0.05 -0.08 0.00 -0.52 0.00 0.00 55.73 55.66 1ucp s ARG 33 Cb -0.10 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1ucp s ARG 33 CO 0.38 -2.83 0.97 -2.00 0.02 0.00 0.00 175.30 171.83 1ucp s GLU 34 N -5.41 3.02 0.00 3.54 2.12 -1.26 -4.21 118.70 116.50 1ucp s GLU 34 Ca 0.68 0.24 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1ucp s GLU 34 Cb -0.11 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1ucp s GLU 34 CO 0.55 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1ucp n GLY 35 N -2.71 0.62 3.41 -1.50 0.00 -1.26 -5.02 105.19 98.74 1ucp n GLY 35 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1ucp n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucp s TYR 36 N -2.19 0.75 0.68 1.61 2.02 -1.26 -5.18 117.35 113.77 1ucp s TYR 36 Ca 0.00 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 55.68 1ucp s TYR 36 Cb 0.00 -0.16 0.12 0.00 -0.40 0.00 0.00 41.96 41.52 1ucp s TYR 36 CO 0.00 -0.84 0.93 0.20 -1.57 0.00 0.00 175.55 174.27 1ucp s GLY 37 N -3.09 1.75 -0.04 0.71 0.00 -1.26 -4.98 107.32 100.41 1ucp s GLY 37 Ca 0.30 -1.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.16 1ucp s GLY 37 CO 0.11 -1.32 0.02 0.50 0.00 0.00 0.00 173.10 172.41 1ucp s ARG 38 N -5.00 0.19 -0.11 2.90 0.52 -1.26 -4.96 118.95 111.23 1ucp s ARG 38 Ca 0.65 0.19 -0.26 0.00 -0.52 0.00 0.00 55.73 55.79 1ucp s ARG 38 Cb -0.05 -0.54 -0.02 0.00 0.52 0.00 0.00 34.95 34.85 1ucp s ARG 38 CO 0.43 -0.23 0.83 0.42 0.02 0.00 0.00 175.30 176.77 1ucp s ILE 39 N 1.54 4.92 0.66 1.52 1.01 -1.26 -5.04 121.20 124.55 1ucp s ILE 39 Ca -0.03 1.68 -0.15 0.00 0.00 0.00 0.00 60.65 62.15 1ucp s ILE 39 Cb -0.13 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1ucp s ILE 39 CO -0.03 0.11 1.10 -2.16 0.00 0.00 0.00 174.94 173.97 1ucp s PRO 40 N 1.55 2.81 0.43 2.79 0.04 -1.26 -4.79 135.00 136.58 1ucp s PRO 40 Ca 0.41 1.35 0.16 0.00 0.04 0.00 0.00 61.00 62.96 1ucp s PRO 40 Cb -0.18 -1.96 0.97 0.00 0.04 0.00 0.00 34.50 33.37 1ucp s PRO 40 CO 0.17 -1.23 1.93 -0.09 0.04 0.00 0.00 177.00 177.82 1ucp h ARG 41 N -0.03 0.00 -0.14 4.56 1.12 -1.96 -0.78 114.38 117.16 1ucp h ARG 41 Ca -0.46 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.40 1ucp h ARG 41 Cb 1.24 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1ucp h ARG 41 CO 0.54 0.25 0.06 0.78 -3.11 0.00 0.00 179.97 178.49 1ucp h GLY 42 N 0.88 0.22 0.96 2.80 0.00 -1.95 -1.52 103.07 104.46 1ucp h GLY 42 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ucp h GLY 42 CO 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 176.54 176.65 1ucp h ALA 43 N 0.91 -0.10 -0.75 3.60 0.00 -1.77 -1.73 119.26 119.43 1ucp h ALA 43 Ca 0.05 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1ucp h ALA 43 Cb 0.15 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1ucp h ALA 43 CO -0.00 -0.54 0.40 -0.07 0.00 0.00 0.00 179.25 179.04 1ucp h LEU 44 N -0.13 0.55 -0.56 0.00 3.38 -1.04 0.75 115.31 118.25 1ucp h LEU 44 Ca -0.01 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1ucp h LEU 44 Cb 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ucp h LEU 44 CO 0.02 0.32 -0.71 -0.07 0.09 0.00 0.00 178.44 178.08 1ucp h LEU 45 N 0.68 0.06 -1.10 1.67 4.07 -1.24 -2.85 115.31 116.61 1ucp h LEU 45 Ca 0.36 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1ucp h LEU 45 Cb 0.35 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1ucp h LEU 45 CO -0.25 0.75 0.00 0.77 -1.08 0.00 0.00 178.44 178.63 1ucp h SER 46 N 0.03 0.00 -2.86 -0.43 4.64 -0.10 -3.44 113.55 111.40 1ucp h SER 46 Ca -0.01 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.84 1ucp h SER 46 Cb 1.26 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1ucp h SER 46 CO 0.10 0.00 -0.09 -0.04 -0.87 0.00 0.00 176.83 175.93 1ucp s MET 47 N -3.50 3.19 0.00 4.77 -1.94 0.07 -5.08 119.30 116.81 1ucp s MET 47 Ca 0.03 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1ucp s MET 47 Cb 0.09 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.38 1ucp s MET 47 CO 0.48 -0.19 0.00 -0.40 -0.01 0.00 0.00 175.02 174.90 1ucp n ASP 48 N -2.05 1.77 -0.16 3.03 5.68 -1.26 -4.92 116.55 118.63 1ucp n ASP 48 Ca 0.00 -0.49 -0.11 0.00 -0.50 0.00 0.00 54.79 53.70 1ucp n ASP 48 Cb 0.57 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1ucp n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ucp h ALA 49 N 0.85 0.66 0.13 2.12 0.00 -1.93 -0.72 119.26 120.37 1ucp h ALA 49 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ucp h ALA 49 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ucp h ALA 49 CO 0.00 0.60 -0.06 1.25 0.00 0.00 0.00 179.25 181.03 1ucp h LEU 50 N 0.79 -0.15 -0.90 0.00 6.46 -1.97 -0.95 115.31 118.60 1ucp h LEU 50 Ca 0.12 -0.41 0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1ucp h LEU 50 Cb 0.71 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 1ucp h LEU 50 CO 0.05 0.40 0.57 0.44 -0.62 0.00 0.00 178.44 179.28 1ucp h ASP 51 N -0.77 0.93 0.57 1.25 3.32 -1.97 -0.98 116.42 118.78 1ucp h ASP 51 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1ucp h ASP 51 Cb 0.54 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1ucp h ASP 51 CO 0.03 0.62 -0.41 0.25 -1.72 0.00 0.00 179.24 178.00 1ucp h LEU 52 N 1.08 -1.08 -0.39 1.55 5.85 -1.10 -0.31 115.31 120.91 1ucp h LEU 52 Ca 0.37 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.25 1ucp h LEU 52 Cb 0.08 0.33 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 1ucp h LEU 52 CO -0.14 -0.61 -0.20 0.74 -0.34 0.00 0.00 178.44 177.89 1ucp h THR 53 N -0.95 0.42 0.01 1.05 2.02 -0.57 0.37 112.91 115.26 1ucp h THR 53 Ca -0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1ucp h THR 53 Cb 0.80 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1ucp h THR 53 CO 0.03 0.00 -0.15 0.44 0.37 0.00 0.00 175.52 176.21 1ucp h ASP 54 N -0.13 -0.42 0.87 4.18 3.32 -1.14 -1.02 116.42 122.09 1ucp h ASP 54 Ca 0.19 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1ucp h ASP 54 Cb 0.42 0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.16 1ucp h ASP 54 CO -0.47 -0.20 -0.42 0.50 -1.72 0.00 0.00 179.24 176.93 1ucp h LYS 55 N -0.25 -1.13 -0.42 3.56 3.64 -0.05 -1.91 116.57 120.02 1ucp h LYS 55 Ca 0.05 0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1ucp h LYS 55 Cb 0.31 0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 32.30 1ucp h LYS 55 CO -0.13 -0.75 -0.09 1.25 -2.27 0.00 0.00 179.45 177.45 1ucp h LEU 56 N -1.21 -0.37 -0.36 5.20 7.12 -0.32 0.33 115.31 125.70 1ucp h LEU 56 Ca -0.12 0.12 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 1ucp h LEU 56 Cb 0.90 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1ucp h LEU 56 CO 0.20 -0.13 -0.05 0.58 -0.13 0.00 0.00 178.44 178.91 1ucp h VAL 57 N 0.01 1.27 0.35 1.05 2.07 -1.21 -1.83 116.25 117.97 1ucp h VAL 57 Ca 0.20 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1ucp h VAL 57 Cb 0.30 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1ucp h VAL 57 CO -0.42 0.36 -0.17 -1.28 0.02 0.00 0.00 177.57 176.08 1ucp h SER 58 N 0.48 -0.40 0.12 0.57 0.87 -0.58 -2.61 113.55 112.00 1ucp h SER 58 Ca 0.10 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1ucp h SER 58 Cb 0.54 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1ucp h SER 58 CO 0.03 -0.05 -0.09 0.15 -0.53 0.00 0.00 176.83 176.34 1ucp h PHE 59 N -0.79 0.00 0.00 2.24 3.57 -0.44 -3.39 116.94 118.13 1ucp h PHE 59 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ucp h PHE 59 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1ucp h PHE 59 CO 0.02 0.09 0.00 0.66 -2.23 0.00 0.00 178.31 176.85 1ucp n TYR 60 N -4.21 0.00 -3.58 0.41 4.01 -0.69 -4.62 117.16 108.49 1ucp n TYR 60 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 1ucp n TYR 60 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1ucp n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ucp s LEU 61 N 0.00 -0.45 0.03 7.72 2.01 -0.98 -4.98 118.68 122.03 1ucp s LEU 61 Ca 0.00 -0.21 0.12 0.00 0.01 0.00 0.00 54.13 54.05 1ucp s LEU 61 Cb 0.00 2.61 0.51 0.00 0.01 0.00 0.00 46.19 49.31 1ucp s LEU 61 CO 0.00 -1.08 1.37 -0.62 1.01 0.00 0.00 176.35 177.04 1ucp n GLU 62 N -0.40 0.02 -0.05 1.70 1.02 -1.24 -0.93 120.64 120.77 1ucp n GLU 62 Ca -0.12 0.34 -0.10 0.00 -0.02 0.00 0.00 57.16 57.26 1ucp n GLU 62 Cb 0.63 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1ucp n GLU 62 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ucp n THR 63 N -1.59 0.87 0.16 2.62 -1.04 -1.26 -4.64 114.28 109.40 1ucp n THR 63 Ca 0.02 -0.03 0.08 0.00 -2.04 0.00 0.00 64.05 62.08 1ucp n THR 63 Cb 0.13 -1.74 0.57 0.00 -1.82 0.00 0.00 70.33 67.47 1ucp n THR 63 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1ucp h TYR 64 N -0.43 0.17 -0.37 -1.42 5.03 -1.94 -2.77 116.97 115.24 1ucp h TYR 64 Ca -0.21 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.13 1ucp h TYR 64 Cb 1.01 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.20 1ucp h TYR 64 CO -0.08 0.10 0.17 0.78 -1.32 0.00 0.00 178.16 177.81 1ucp h GLY 65 N 0.18 0.49 1.45 1.82 0.00 -1.29 0.19 103.07 105.90 1ucp h GLY 65 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1ucp h GLY 65 CO -0.01 0.08 -0.33 0.00 0.00 0.00 0.00 176.54 176.28 1ucp h ALA 66 N 1.20 0.90 0.27 3.60 0.00 -1.75 -0.86 119.26 122.62 1ucp h ALA 66 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ucp h ALA 66 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ucp h ALA 66 CO -0.13 0.63 -0.13 1.49 0.00 0.00 0.00 179.25 181.11 1ucp h GLU 67 N 0.52 -0.36 -0.28 0.00 4.81 -1.35 -0.80 114.58 117.13 1ucp h GLU 67 Ca 0.06 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1ucp h GLU 67 Cb 0.82 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 1ucp h GLU 67 CO 0.07 -0.14 -0.26 1.25 -0.73 0.00 0.00 179.01 179.20 1ucp h LEU 68 N -0.51 -0.83 0.10 1.64 6.46 -0.59 0.59 115.31 122.18 1ucp h LEU 68 Ca -0.04 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1ucp h LEU 68 Cb 0.38 0.39 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 1ucp h LEU 68 CO 0.06 -0.29 -0.14 0.74 -0.62 0.00 0.00 178.44 178.20 1ucp h THR 69 N -0.25 0.68 0.00 1.05 2.02 -1.00 -0.41 112.91 115.01 1ucp h THR 69 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 1ucp h THR 69 Cb 0.48 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1ucp h THR 69 CO -0.42 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.36 1ucp h ALA 70 N 0.57 1.76 0.25 6.16 0.00 -0.76 -0.59 119.26 126.65 1ucp h ALA 70 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ucp h ALA 70 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ucp h ALA 70 CO -0.06 0.14 -0.12 -0.97 0.00 0.00 0.00 179.25 178.24 1ucp h ASN 71 N 0.00 -0.28 -0.35 0.00 -1.24 0.06 0.13 115.58 113.90 1ucp h ASN 71 Ca -0.00 -0.25 0.06 0.00 0.71 0.00 0.00 56.30 56.82 1ucp h ASN 71 Cb 0.21 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.28 1ucp h ASN 71 CO 0.01 0.18 0.04 0.58 -1.29 0.00 0.00 177.43 176.96 1ucp h VAL 72 N -0.83 0.79 -0.47 2.57 2.07 -0.99 -0.03 116.25 119.36 1ucp h VAL 72 Ca -0.03 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1ucp h VAL 72 Cb 0.51 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1ucp h VAL 72 CO 0.06 0.03 0.18 -0.07 0.02 0.00 0.00 177.57 177.78 1ucp h LEU 73 N 0.15 0.19 -0.61 2.57 3.38 -1.15 -1.23 115.31 118.62 1ucp h LEU 73 Ca 0.17 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1ucp h LEU 73 Cb 0.21 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1ucp h LEU 73 CO -0.25 0.14 0.27 -0.09 0.09 0.00 0.00 178.44 178.60 1ucp h ARG 74 N 0.36 0.47 -0.54 1.13 2.43 -0.07 -1.52 114.38 116.63 1ucp h ARG 74 Ca 0.22 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1ucp h ARG 74 Cb 0.21 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1ucp h ARG 74 CO -0.22 0.31 0.36 0.22 -1.51 0.00 0.00 179.97 179.13 1ucp h ASP 75 N 0.48 0.62 0.33 -3.80 1.82 0.01 -0.75 116.42 115.14 1ucp h ASP 75 Ca 0.30 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1ucp h ASP 75 Cb 0.31 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1ucp h ASP 75 CO -0.26 0.45 0.00 0.23 -1.61 0.00 0.00 179.24 178.05 1ucp n MET 76 N -4.46 0.03 -0.04 0.28 2.81 -0.57 -4.85 117.12 110.32 1ucp n MET 76 Ca 0.05 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1ucp n MET 76 Cb 0.05 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 1ucp n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ucp n GLY 77 N -0.56 0.42 3.70 3.03 0.00 -0.29 -5.07 105.19 106.43 1ucp n GLY 77 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ucp n GLY 77 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ucp s LEU 78 N 0.00 4.32 -0.00 0.99 0.20 -1.14 -4.94 118.68 118.10 1ucp s LEU 78 Ca 0.00 1.94 0.01 0.00 0.69 0.00 0.00 54.13 56.77 1ucp s LEU 78 Cb 0.00 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.19 1ucp s LEU 78 CO 0.00 -0.56 0.01 0.00 -0.29 0.00 0.00 176.35 175.50 1ucp n GLN 79 N 4.74 2.54 0.17 1.98 -0.00 -1.26 -3.57 117.38 121.97 1ucp n GLN 79 Ca 0.11 -0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 57.04 1ucp n GLN 79 Cb 0.46 -1.01 -0.03 0.00 -0.00 0.00 0.00 30.24 29.65 1ucp n GLN 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1ucp h GLU 80 N 0.00 -0.42 -0.85 2.61 9.09 -1.99 -1.53 114.58 121.49 1ucp h GLU 80 Ca -0.01 0.03 -0.03 0.00 0.05 0.00 0.00 59.36 59.40 1ucp h GLU 80 Cb 0.68 0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 27.84 1ucp h GLU 80 CO 0.00 -0.28 0.42 1.98 0.05 0.00 0.00 179.01 181.19 1ucp h MET 81 N -0.49 1.21 -0.63 1.06 -1.53 -1.98 -1.76 114.93 110.80 1ucp h MET 81 Ca -0.04 -0.16 0.09 0.00 -3.44 0.00 0.00 59.70 56.14 1ucp h MET 81 Cb 0.33 -0.22 -0.07 0.00 -0.55 0.00 0.00 31.60 31.09 1ucp h MET 81 CO 0.07 0.91 0.27 0.00 0.14 0.00 0.00 176.91 178.31 1ucp h ALA 82 N 1.26 0.84 0.41 0.39 0.00 -1.84 0.33 119.26 120.66 1ucp h ALA 82 Ca 0.29 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1ucp h ALA 82 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ucp h ALA 82 CO -0.04 -0.14 -0.20 0.78 0.00 0.00 0.00 179.25 179.66 1ucp h GLY 83 N 0.48 -0.57 0.84 0.00 0.00 -0.61 -2.03 103.07 101.18 1ucp h GLY 83 Ca 0.32 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1ucp h GLY 83 CO -0.28 -0.21 0.65 1.46 0.00 0.00 0.00 176.54 178.16 1ucp h GLN 84 N -0.61 1.19 0.10 4.80 1.08 -0.81 -1.04 115.11 119.80 1ucp h GLN 84 Ca -0.06 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1ucp h GLN 84 Cb 0.46 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1ucp h GLN 84 CO 0.09 0.79 -0.05 1.25 -0.95 0.00 0.00 178.83 179.96 1ucp h LEU 85 N 1.22 -0.11 -0.18 1.46 5.85 -0.34 0.22 115.31 123.44 1ucp h LEU 85 Ca 0.41 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1ucp h LEU 85 Cb 0.06 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ucp h LEU 85 CO -0.14 0.01 0.10 -0.61 -0.34 0.00 0.00 178.44 177.47 1ucp h GLN 86 N -0.23 0.24 0.00 1.25 4.15 -0.99 -1.58 115.11 117.96 1ucp h GLN 86 Ca -0.01 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1ucp h GLN 86 Cb 0.19 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 1ucp h GLN 86 CO 0.02 0.21 -0.14 0.00 -1.93 0.00 0.00 178.83 176.99 1ucp h ALA 87 N 1.01 1.29 -0.07 3.38 0.00 -0.96 0.11 119.26 124.02 1ucp h ALA 87 Ca 0.06 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1ucp h ALA 87 Cb 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ucp h ALA 87 CO -0.01 0.18 -0.58 0.00 0.00 0.00 0.00 179.25 178.84 1ucp h ALA 88 N 1.86 0.16 -0.28 0.00 0.00 -0.37 -2.30 119.26 118.33 1ucp h ALA 88 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1ucp h ALA 88 Cb 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ucp h ALA 88 CO 0.02 0.41 -0.01 1.15 0.00 0.00 0.00 179.25 180.81 1ucp h THR 89 N 0.09 1.26 -1.74 0.00 2.02 -0.36 -3.41 112.91 110.77 1ucp h THR 89 Ca -0.05 -0.96 -0.31 0.00 0.77 0.00 0.00 66.41 65.85 1ucp h THR 89 Cb 1.25 1.33 -0.28 0.00 -1.74 0.00 0.00 68.15 68.71 1ucp h THR 89 CO 0.12 0.31 -0.65 -2.28 0.37 0.00 0.00 175.52 173.39 1ucp s HIS 90 N -4.94 -0.56 -2.00 3.16 5.65 0.28 -4.51 115.29 112.38 1ucp s HIS 90 Ca -0.13 -0.71 0.10 0.00 0.25 0.00 0.00 55.06 54.57 1ucp s HIS 90 Cb 0.08 -0.26 0.60 0.00 -1.18 0.00 0.00 32.58 31.82 1ucp s HIS 90 CO 0.76 -1.02 1.04 0.94 -0.65 0.00 0.00 174.74 175.81